SCHEMBL22453768

SCHEMBL22453768

COC(=O)c1ccccc1N(C)c1cccc(C(=O)Nc2ccc(C34CC5CC(CC3C5)C4)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ FAAH O00519 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22452717 0.81 SERPINE1 (0.48) USP2MAPTHTTGAAMEN1
SCHEMBL22453561 0.78 CNR2 (0.53) USP2MAPTALDH1A1HTTMEN1
SCHEMBL22453777 0.74 EPHX2 (0.58) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL22453343 0.73 SIRT2 (0.54) ALDH1A1GAAMEN1KMT2APKM
SCHEMBL22453544 0.72 EPHX2 (0.54) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL22452673 0.71 PGR (0.50) HTTKMT2ANPC1LMNANPSR1
SCHEMBL22453243 0.71 SERPINE1 (0.50) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL22452667 0.69 HIF1A (0.44) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL22453766 0.68 HPGD (0.56) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL22453501 0.68 KMT2A (0.45) MAPTALDH1A1HTTGAAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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